Crystallography Open Database

Information card for entry 7036495

Preview

Coordinates	7036495.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H42 Br2 N4 O12 Zn3
Calculated formula	C40 H42 Br2 N4 O12 Zn3
Title of publication	Combination effect of ionic liquid components on the structure and properties in 1,4-benzenedicarboxylate based zinc metal-organic frameworks.
Authors of publication	Zhang, Zong-Hui; Liu, Bing; Xu, Ling; Jiao, Huan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	41
Pages of publication	17980 - 17989
a	13.1135 ± 0.0014 Å
b	9.7503 ± 0.0006 Å
c	18.2437 ± 0.0018 Å
α	90°
β	110.202 ± 0.012°
γ	90°
Cell volume	2189.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0806
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1315
Weighted residual factors for all reflections included in the refinement	0.1494
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7036495.html